A3786/0160708
TL;DR: A3786/0160708 (CAS 727681-47-2) is a chemical compound with molecular formula C21H15ClN4O3S2 and molecular weight 470.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-[[4-(4-chlorophenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid
Also Known As: A3786/0160708, 4-[({[4-(4-chlorophenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoic acid, 4-(2-((4-(4-chlorophenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoic acid, 4-[(2-{[4-(4-CHLOROPHENYL)-5-(2-THIENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ACETYL)AMINO]BENZOIC ACID, 4-[[2-[[4-(4-chlorophenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid
| Molecular Formula | C21H15ClN4O3S2 |
|---|---|
| Molecular Weight | 470.03 g/mol |
| LogP | 5.0782 |
| Topological Polar Surface Area | 97.11 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 470.0274 |
| Heavy Atoms | 31 |
| Complexity | 1206.673 |
Chemical Identifiers
| CAS Number | 727681-47-2 |
|---|---|
| SMILES | C1=CSC(=C1)C2=NN=C(N2C3=CC=C(C=C3)Cl)SCC(=O)NC4=CC=C(C=C4)C(=O)O |
Product Overview
A3786/0160708 (CAS 727681-47-2), with molecular formula C21H15ClN4O3S2 and molecular weight 470.03 g/mol. IUPAC: 4-[[2-[[4-(4-chlorophenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid.
Chemical Property Profile of A3786/0160708
Property Insights of A3786/0160708
The XLogP value of 5.0782 indicates that A3786/0160708 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.11 Ų falls within the moderate polarity range, balancing permeability and solubility for A3786/0160708. Following Lipinski's Rule of Five, A3786/0160708 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A3786/0160708?
The CAS number of A3786/0160708 is 727681-47-2.
What is the molecular formula of A3786/0160708?
The molecular formula of A3786/0160708 is C21H15ClN4O3S2.
What is the molecular weight of A3786/0160708?
The molecular weight of A3786/0160708 is 470.03 g/mol.
Where can I buy A3786/0160708?
You can request a quote for A3786/0160708 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3786/0160708?
Yes, KEHONG BIO provides custom synthesis services for A3786/0160708 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.